(2S)-2-{[(2E)-3-(4-Aminophenyl)-2-(Benzoylamino)-2-Propenoyl]Oxy}-3-Phenylpropanoic Acid

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Properties Simple | Detailed

Formula C25H23N2O5
IUPAC Name (z)-benzoyl-[2-[(1s)-1-carboxy-2-phenyl-ethoxy]-1-[(4-λ1-azanylphenyl)methyl]-2-oxo-ethylidene]ammonium
Molecular Mass 431.461 g·mol−1
Heat of Formation -567.6 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 508.86 Å 3
Surface Area 417.03 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(e)-3-(4-aminophenyl)-1-oxo-2-[(oxo-phenylmethyl)amino]prop-2-enoxy]-3-phenylpropanoic acid
  • (2s)-2-[(e)-3-(4-aminophenyl)-2-(benzoylamino)acryloyl]oxy-3-phenyl-propionic acid
  • (2s)-2-[(e)-3-(4-aminophenyl)-2-(benzoylamino)prop-2-enoyl]oxy-3-phenyl-propanoic acid
  • (2s)-2-[(e)-3-(4-aminophenyl)-2-(benzoylamino)prop-2-enoyl]oxy-3-phenylpropanoic acid
  • (2s)-2-[(e)-3-(4-aminophenyl)-2-(phenylcarbonylamino)prop-2-enoyl]oxy-3-phenyl-propanoic acid
  • bacpl
  • benzenepropanoic acid, alpha-((3-(4-aminophenyl)-2-(benzoylamino)-1-oxo-2-propenyl)oxy)-, (s-(e))-
  • o-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate
CAS Number(s)
  • 133658-50-1
InChIKey ZIDRLGDJUQGOOT-VAZXNAHHSA-N
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